[gmx-users] berger lipid parameters in amber99sb-ildn ff

Monoj Mon Kalita mon.123chem at gmail.com
Sun Mar 23 05:29:22 CET 2014

Dear Users

I am trying to run a drug-protein simulation in GROMACS. I have calculated
the ligand paramteres using the generalized amber force field (GAFF) . ESP
partial charges were calculated using HF/6-31G* basis set. RESP fitting was
performed using the Antechamber . Now I am having trouble in introducing
the berger lipid parameters into the topology file created by
amber99sb-ildn ff . All I got are gromos adopted forcefield files and
berger lipid parameters as I want to run my simulation in united-atom POPC
membrane with berger lipid parameter and amber99sb-ildn ff for protein. Is
there any link to download the amber adopted toplogy file for united atom
POPC with berger lipid forcefield parameters which may solve my problem.

I am following the method mentioned in this publication doi:
10.3109/09687688.2013.773095. to set up my protocol.


 With Regards
Monoj Mon Kalita
Taipei, Taiwan

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